(2,3,4,6-tetrabromophenyl)hydrazine;hydrobromide

C6H5Br5N2 — CID 138619428

IUPAC(2,3,4,6-tetrabromophenyl)hydrazine;hydrobromide
SMILESBr.NNc1c(Br)cc(Br)c(Br)c1Br
InChIInChI=1S/C6H4Br4N2.BrH/c7-2-1-3(8)6(12-11)5(10)4(2)9;/h1,12H,11H2;1H
InChIKeyYMJZVHWNUGLILM-UHFFFAOYSA-N
MW504.64 g/mol
LogP4.60
Rot. Bonds1

About (2,3,4,6-tetrabromophenyl)hydrazine;hydrobromide

(2,3,4,6-tetrabromophenyl)hydrazine;hydrobromide (PubChem CID 138619428) has the molecular formula C6H5Br5N2 and a molecular weight of 504.64 g/mol. Its IUPAC name is (2,3,4,6-tetrabromophenyl)hydrazine;hydrobromide.

Molecular Properties

Compound Name(2,3,4,6-tetrabromophenyl)hydrazine;hydrobromide
PubChem CID138619428
Molecular FormulaC6H5Br5N2
Molecular Weight504.64 g/mol
Exact Mass499.64
IUPAC Name(2,3,4,6-tetrabromophenyl)hydrazine;hydrobromide
SMILESBr.NNc1c(Br)cc(Br)c(Br)c1Br
InChIInChI=1S/C6H4Br4N2.BrH/c7-2-1-3(8)6(12-11)5(10)4(2)9;/h1,12H,11H2;1H
InChIKeyYMJZVHWNUGLILM-UHFFFAOYSA-N
XLogP4.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.64
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,3,4,6-tetrabromophenyl)hydrazine;hydrobromide?
The IUPAC name of (2,3,4,6-tetrabromophenyl)hydrazine;hydrobromide (CID 138619428) is (2,3,4,6-tetrabromophenyl)hydrazine;hydrobromide.
What is the SMILES notation for (2,3,4,6-tetrabromophenyl)hydrazine;hydrobromide?
The canonical SMILES for (2,3,4,6-tetrabromophenyl)hydrazine;hydrobromide is Br.NNc1c(Br)cc(Br)c(Br)c1Br.
What is the InChIKey of (2,3,4,6-tetrabromophenyl)hydrazine;hydrobromide?
The InChIKey is YMJZVHWNUGLILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br4N2.BrH/c7-2-1-3(8)6(12-11)5(10)4(2)9;/h1,12H,11H2;1H.
What are the key properties of (2,3,4,6-tetrabromophenyl)hydrazine;hydrobromide?
(2,3,4,6-tetrabromophenyl)hydrazine;hydrobromide has a molecular weight of 504.64 g/mol, XLogP of 4.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,6-tetrabromophenyl)hydrazine;hydrobromide is sourced from PubChem (CID 138619428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).